Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
Dipole_val
ads_E
ads_site
age
Time since creation
atom_E
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
distance
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
plane_index
slab_E
smax
Maximum stress on unit cell
eV/Ang
3
str_E
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 526-8 out of 8
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Dipole_val
ads_E
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
str_E
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Energy
✕
Username
✕
Maximum stress
✕
526
-195.504
hecc
0.008
527
-197.683
hecc
0.006
528
-199.306
hecc
0.006
529
-199.897
hecc
0.005
530
-199.470
hecc
0.005
531
-197.506
hecc
0.006
532
-192.866
hecc
0.007
533
-195.024
hecc
0.008
534
-194.558
hecc
0.007
535
-196.341
hecc
0.007
536
-197.812
hecc
0.006
537
-198.589
hecc
0.006
538
-198.348
hecc
0.006
539
-196.487
hecc
0.006
540
-192.878
hecc
0.007
541
-196.520
hecc
0.007
542
-192.846
hecc
0.007
543
-195.476
hecc
0.008
544
-195.497
hecc
0.007
545
-197.667
hecc
0.006
546
-199.261
hecc
0.005
547
-199.816
hecc
0.005
548
-199.380
hecc
0.006
549
-197.474
hecc
0.006
550
-192.866
hecc
0.007
«
1
...
»